6-[(E)-2-(4-methoxyphenyl)ethenyl]-5-nitro-N2,N4-diphenyl-pyrimidine-2,4-diamine

Systemtic Name: 6-[(E)-2-(4-methoxyphenyl)ethenyl]-5-nitro-N2,N4-diphenyl-pyrimidine-2,4-diamine Openeye Name: 6-[(E)-2-(4-methoxyphenyl)vinyl]-5-nitro-N2,N4-diphenyl-pyrimidine-2,4-diamine CAS Name: 6-[(E)-2-(4-methoxyphenyl)ethenyl]-5-nitro-N2,N4-diphenylpyrimidine-2,4-diamine IUPAC Name: 6-[(E)-2-(4-methoxyphenyl)ethenyl]-5-nitro-2-N,4-N-diphenylpyrimidine-2,4-diamine Traditional Name: [2-anilino-6-[(E)-2-(4-methoxyphenyl)vinyl]-5-nitro-pyrimidin-4-yl]-phenyl-amine Formula: C25H21N5O3 MolecularWeight: 439.46594

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC2=C(C(=NC(=N2)NC3=CC=CC=C3)NC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/C2=C(C(=NC(=N2)NC3=CC=CC=C3)NC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H21N5O3/c1-33-21-15-12-18(13-16-21)14-17-22-23(30(31)32)24(26-19-8-4-2-5-9-19)29-25(28-22)27-20-10-6-3-7-11-20/h2-17H,1H3,(H2,26,27,28,29)/b17-14+